2,2-dimethylpropane;7-methylidene-4H-thieno[3,2-b]pyridine

C13H19NS — CID 161385586

IUPAC2,2-dimethylpropane;7-methylidene-4H-thieno[3,2-b]pyridine
SMILESC=C1C=CNc2ccsc21.CC(C)(C)C
InChIInChI=1S/C8H7NS.C5H12/c1-6-2-4-9-7-3-5-10-8(6)7;1-5(2,3)4/h2-5,9H,1H2;1-4H3
InChIKeyVSHKAMHZZYEDTF-UHFFFAOYSA-N
MW221.37 g/mol
LogP4.75
Rot. Bonds

About 2,2-dimethylpropane;7-methylidene-4H-thieno[3,2-b]pyridine

2,2-dimethylpropane;7-methylidene-4H-thieno[3,2-b]pyridine (PubChem CID 161385586) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 2,2-dimethylpropane;7-methylidene-4H-thieno[3,2-b]pyridine.

Molecular Properties

Compound Name2,2-dimethylpropane;7-methylidene-4H-thieno[3,2-b]pyridine
PubChem CID161385586
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name2,2-dimethylpropane;7-methylidene-4H-thieno[3,2-b]pyridine
SMILESC=C1C=CNc2ccsc21.CC(C)(C)C
InChIInChI=1S/C8H7NS.C5H12/c1-6-2-4-9-7-3-5-10-8(6)7;1-5(2,3)4/h2-5,9H,1H2;1-4H3
InChIKeyVSHKAMHZZYEDTF-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;7-methylidene-4H-thieno[3,2-b]pyridine?
The IUPAC name of 2,2-dimethylpropane;7-methylidene-4H-thieno[3,2-b]pyridine (CID 161385586) is 2,2-dimethylpropane;7-methylidene-4H-thieno[3,2-b]pyridine.
What is the SMILES notation for 2,2-dimethylpropane;7-methylidene-4H-thieno[3,2-b]pyridine?
The canonical SMILES for 2,2-dimethylpropane;7-methylidene-4H-thieno[3,2-b]pyridine is C=C1C=CNc2ccsc21.CC(C)(C)C.
What is the InChIKey of 2,2-dimethylpropane;7-methylidene-4H-thieno[3,2-b]pyridine?
The InChIKey is VSHKAMHZZYEDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS.C5H12/c1-6-2-4-9-7-3-5-10-8(6)7;1-5(2,3)4/h2-5,9H,1H2;1-4H3.
What are the key properties of 2,2-dimethylpropane;7-methylidene-4H-thieno[3,2-b]pyridine?
2,2-dimethylpropane;7-methylidene-4H-thieno[3,2-b]pyridine has a molecular weight of 221.37 g/mol, XLogP of 4.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;7-methylidene-4H-thieno[3,2-b]pyridine is sourced from PubChem (CID 161385586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).